Extended Data Fig. 6: Early-time dynamics from simulations.
From: Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane
The same data as shown in Fig. 4 in the main text but zoomed in on the first 200 fs. a, False-colour maps for average carbon–carbon distance rCC = (r12 + r34)/2 versus time. b, Populations of the electronic states and fraction of molecules with NBD-like geometry (defined as rCC > 2.0 A) as a function of time. c, Simulated TRPES data, convoluted by Gaussian functions with full-width at half-maximum of 0.1 eV and 94 fs. Signals with BE > 3 eV (below the horizontal dashed line) have been multiplied by a factor of three prior to display.
